(4-chlorophenyl)methyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(4-chlorophenyl)methyl]ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(4-chlorophenyl)methyl]ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(4-chlorophenyl)methyl]azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(4-chlorobenzyl)ammonium Formula: C19H23ClNO4+ MolecularWeight: 364.84322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]CC2=CC=C(C=C2)Cl)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]CC2=CC=C(C=C2)Cl)O)OC

InChI

InChI=1S/C19H22ClNO4/c1-13(22)15-5-8-18(19(9-15)24-2)25-12-17(23)11-21-10-14-3-6-16(20)7-4-14/h3-9,17,21,23H,10-12H2,1-2H3/p+1/t17-/m0/s1